SCHEMBL19706043

SCHEMBL19706043

C[C@@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc(-c2cnc(CN)o2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19706044 0.91 FYN (0.35) FYNMAPTCYP1A2HTR2AHTR2C
SCHEMBL20632114 0.87 FYN (0.39) FYNMAPTCYP1A2HTR2AHTR2C
SCHEMBL17618335 0.87 TRPV1 (0.39) FYNMAPTCYP1A2HTR2AHTR2C
SCHEMBL19670552 0.87 FYN (0.38) FYNMAPTCYP1A2HTR2AHTR2C
SCHEMBL16237553 0.86 FYN (0.37) FYNMAPTCYP1A2HTR2AHTR2C
SCHEMBL19365904 0.84 MAPT (0.43) FYNMAPTCA2CA9TRPV1
SCHEMBL19365690 0.83 FYN (0.38) FYNMAPTCA2CA9TRPV1
SCHEMBL19365254 0.82 HTR2C (0.47) MAPTCYP1A2HTR2AHTR2CTRPV1
SCHEMBL19365708 0.82 MAPT (0.41) FYNMAPTHTR2AHTR2CCA2
SCHEMBL19365568 0.82 RHOA (0.50) FYNMAPTMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FYN 2694/4885MAPT 267/4885CYP1A2 3492/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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